Results 131 to 140 of about 5,903,465 (247)
MFR-DTA: a multi-functional and robust model for predicting drug-target binding affinity and region. [PDF]
Bioinformatics, 2023 Hua Y, Song X, Feng Z, Wu X.
europepmc +1 more source
Genetically Programmed Shape‐Morphing of Engineered Living Materials
Advanced Functional Materials, EarlyView.Here, bacterial and mammalian engineered living materials (ELMs) are presented, in which living cells direct genetically programmed and enzymatically mediated shape‐morphing. The resulting deformation and shape‐recovery can be actuated in a genetically controlled manner by an ELM incorporating out‐of‐equilibrium counteracting biochemical reactions with
Jan Becker +7 more
wiley +1 more source
Halogen Bond: Its Role beyond Drug–Target Binding Affinity for Drug Discovery and Development
, 2015 Halogen bond has attracted a great deal of attention in the past years for hit-to-lead-to-candidate optimization aiming at improving drug-target binding affinity. In general, heavy organohalogens (i.e., organochlorines, organobromines, and organoiodines)
Yunxiang Lu (1305909) +5 more
core +1 more source
NHGNN-DTA: a node-adaptive hybrid graph neural network for interpretable drug-target binding affinity prediction. [PDF]
Bioinformatics, 2023 He H, Chen G, Chen CY.
europepmc +1 more source
Advanced Functional Materials, EarlyView.Borophene is introduced as a programmable 2D bio‐interface that organizes DNA through dual boron–sulfur and nucleobase interactions. This molecular architecture enables efficient long‐range nanosurface energy transfer, establishing new design principles for functional nano–bio interfaces and amplification‐free optical biosensing.
Teresa Aditya +11 more
wiley +1 more source
Industrial Crops and ProductsNatural products constitute a significant reservoir for novel pesticide development. D-pinitol ((1 R,2S,3r,4 R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol), a compound exhibiting robust herbicidal activity, has been isolated from Sapindus mukorossi leaf
Mingyu Wang +6 more
doaj +1 more source
Hybrid neural network approaches to predict drug-target binding affinity for drug repurposing: screening for potential leads for Alzheimer's disease. [PDF]
Front Mol Biosci, 2023 Wu X, Li Z, Chen G, Yin Y, Chen CY.
europepmc +1 more source
Advanced Functional Materials, EarlyView.Nitride MXenes remain constrained by a persistent gap between computational prediction and experimental realization. This Review identifies the thermodynamic, kinetic, and chemical barriers limiting their synthesis, critically evaluates emerging fabrication routes, and proposes a multidimensional computational‐experimental framework to accelerate the ...
Naresh Varnakavi, Masoud Soroush
wiley +1 more source
Scientific ReportsBinding affinity is an important factor in drug design to improve drug-target selectivity and specificity. In this study, in silico techniques based on molecular docking followed by molecular dynamics (MD) simulations were utilized to identify the key ...
Chompunud Chompunud Na Ayudhya +2 more
doaj +1 more source
Advanced Healthcare Materials, EarlyView.Engineered red blood cell‐derived extracellular vesicles (eRBCEVs) are synthesized via controlled microfluidic assembly from native RBC lipids, enabling tunable encapsulation of proteins, nucleic acids, nanoparticles, and viral vectors. The platform demonstrates reproducible nanoscale architecture, preserved membrane composition, and functional cargo ...
Chiranth K. Nagaraj +23 more
wiley +1 more source